N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C28H18FN5O2 — CID 91578411

IUPACN-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2-c2c(-c3nc4cc(O)c(F)cc4[nH]3)cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C28H18FN5O2/c29-20-12-21-22(13-23(20)35)33-27(32-21)19-7-3-6-18-24(19)14-4-1-2-5-15(14)25(18)34-28(36)17-9-11-31-26-16(17)8-10-30-26/h1-13,25,35H,(H,30,31)(H,32,33)(H,34,36)/t25-/m1/s1
InChIKeyONFASMJRGQBWGU-RUZDIDTESA-N
MW475.48 g/mol
LogP5.45
Rot. Bonds3

About N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 91578411) has the molecular formula C28H18FN5O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID91578411
Molecular FormulaC28H18FN5O2
Molecular Weight475.48 g/mol
Exact Mass475.14
IUPAC NameN-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2-c2c(-c3nc4cc(O)c(F)cc4[nH]3)cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C28H18FN5O2/c29-20-12-21-22(13-23(20)35)33-27(32-21)19-7-3-6-18-24(19)14-4-1-2-5-15(14)25(18)34-28(36)17-9-11-31-26-16(17)8-10-30-26/h1-13,25,35H,(H,30,31)(H,32,33)(H,34,36)/t25-/m1/s1
InChIKeyONFASMJRGQBWGU-RUZDIDTESA-N
XLogP5.45
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.48
LogP ≤ 55.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15942612
N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 90859906
N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15940908
N-(3-hydroxypropyl)-2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxamide
CID 15941221
N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 44537864
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 59334057
N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 59334065
N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 59334080
N-[4-(6-morpholin-4-yl-3-pyridinyl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 24947167
2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
CID 11978794
2-amino-3-[5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]thiophen-2-yl]propanoic acid
CID 59334129
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide
CID 59208238

Frequently Asked Questions

What is the IUPAC name of N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 91578411) is N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C(N[C@@H]1c2ccccc2-c2c(-c3nc4cc(O)c(F)cc4[nH]3)cccc21)c1ccnc2[nH]ccc12.
What is the InChIKey of N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is ONFASMJRGQBWGU-RUZDIDTESA-N. The full InChI is InChI=1S/C28H18FN5O2/c29-20-12-21-22(13-23(20)35)33-27(32-21)19-7-3-6-18-24(19)14-4-1-2-5-15(14)25(18)34-28(36)17-9-11-31-26-16(17)8-10-30-26/h1-13,25,35H,(H,30,31)(H,32,33)(H,34,36)/t25-/m1/s1.
What are the key properties of N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 475.48 g/mol, XLogP of 5.45, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 91578411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).